3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one

C16H18N4O2 — CID 59389391

About 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one

3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one (PubChem CID 59389391) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one
• PubChem CID: 59389391
• Molecular Formula: C16H18N4O2
• Molecular Weight: 298.35 g/mol
• Exact Mass: 298.14
• IUPAC Name: 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one
• SMILES: COc1ccc(-c2n[nH]c(=O)cc2C)c2cc(C(C)C)nn12
• InChI: InChI=1S/C16H18N4O2/c1-9(2)12-8-13-11(5-6-15(22-4)20(13)19-12)16-10(3)7-14(21)17-18-16/h5-9H,1-4H3,(H,17,21)
• InChIKey: JOXZYUPODLRZBF-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.35
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one?

The IUPAC name of 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one (CID 59389391) is 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one.

What is the SMILES notation for 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one?

The canonical SMILES for 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one is COc1ccc(-c2n[nH]c(=O)cc2C)c2cc(C(C)C)nn12.

What is the InChIKey of 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one?

The InChIKey is JOXZYUPODLRZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9(2)12-8-13-11(5-6-15(22-4)20(13)19-12)16-10(3)7-14(21)17-18-16/h5-9H,1-4H3,(H,17,21).

What are the key properties of 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one?

3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one has a molecular weight of 298.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-methoxy-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 59389391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).